5-[1-(phenylmethyl)piperidin-1-ium-1-yl]benzo[e]isoindole-1,3-dione

Systemtic Name: 5-[1-(phenylmethyl)piperidin-1-ium-1-yl]benzo[e]isoindole-1,3-dione Openeye Name: 5-(1-benzylpiperidin-1-ium-1-yl)benzo[e]isoindole-1,3-dione CAS Name: 5-[1-(phenylmethyl)-1-piperidin-1-iumyl]benzo[e]isoindole-1,3-dione IUPAC Name: 5-(1-benzylpiperidin-1-ium-1-yl)benzo[e]isoindole-1,3-dione Traditional Name: 5-(1-benzylpiperidin-1-ium-1-yl)benz[e]isoindole-1,3-quinone Formula: C24H23N2O2+ MolecularWeight: 371.45162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC=CC=C2)C3=CC4=C(C5=CC=CC=C53)C(=O)NC4=O

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=CC=C2)C3=CC4=C(C5=CC=CC=C53)C(=O)NC4=O

InChI

InChI=1S/C24H22N2O2/c27-23-20-15-21(18-11-5-6-12-19(18)22(20)24(28)25-23)26(13-7-2-8-14-26)16-17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2/p+1